N-[7-[[methyl(propan-2-yl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-(sulfonylamino)propanamide;naphthalene

C33H37N3O4S — CID 87626987

IUPACN-[7-[[methyl(propan-2-yl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-(sulfonylamino)propanamide;naphthalene
SMILESCC(C)N(C)Cc1ccc2c(c1)OCCC2NC(=O)CC(N=S(=O)=O)c1ccccc1.c1ccc2ccccc2c1
InChIInChI=1S/C23H29N3O4S.C10H8/c1-16(2)26(3)15-17-9-10-19-20(11-12-30-22(19)13-17)24-23(27)14-21(25-31(28)29)18-7-5-4-6-8-18;1-2-6-10-8-4-3-7-9(10)5-1/h4-10,13,16,20-21H,11-12,14-15H2,1-3H3,(H,24,27);1-8H
InChIKeyGJJBNBFWPNZFPU-UHFFFAOYSA-N
MW571.74 g/mol
LogP6.50
Rot. Bonds8

About N-[7-[[methyl(propan-2-yl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-(sulfonylamino)propanamide;naphthalene

N-[7-[[methyl(propan-2-yl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-(sulfonylamino)propanamide;naphthalene (PubChem CID 87626987) has the molecular formula C33H37N3O4S and a molecular weight of 571.74 g/mol. Its IUPAC name is N-[7-[[methyl(propan-2-yl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-(sulfonylamino)propanamide;naphthalene.

Molecular Properties

Compound NameN-[7-[[methyl(propan-2-yl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-(sulfonylamino)propanamide;naphthalene
PubChem CID87626987
Molecular FormulaC33H37N3O4S
Molecular Weight571.74 g/mol
Exact Mass571.25
IUPAC NameN-[7-[[methyl(propan-2-yl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-(sulfonylamino)propanamide;naphthalene
SMILESCC(C)N(C)Cc1ccc2c(c1)OCCC2NC(=O)CC(N=S(=O)=O)c1ccccc1.c1ccc2ccccc2c1
InChIInChI=1S/C23H29N3O4S.C10H8/c1-16(2)26(3)15-17-9-10-19-20(11-12-30-22(19)13-17)24-23(27)14-21(25-31(28)29)18-7-5-4-6-8-18;1-2-6-10-8-4-3-7-9(10)5-1/h4-10,13,16,20-21H,11-12,14-15H2,1-3H3,(H,24,27);1-8H
InChIKeyGJJBNBFWPNZFPU-UHFFFAOYSA-N
XLogP6.50
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.74
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[7-[[methyl(propan-2-yl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-(sulfonylamino)propanamide;naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[7-[[tert-butyl(methyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-(sulfonylamino)propanamide;naphthalene
CID 87626866
N-[7-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]-3-(methanesulfonamido)-3-phenylpropanamide
CID 59792143
N-[5-(aminomethyl)-2,3-dihydro-1H-inden-1-yl]-3-phenyl-3-(sulfonylamino)propanamide;naphthalene;hydrochloride
CID 87626384
naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide
CID 87627362
naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide;hydrochloride
CID 87625732
3-[(4-methoxyphenyl)sulfonylamino]-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide
CID 68928466
3-[(4-chlorophenyl)sulfonylamino]-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide
CID 68929242
N-[7-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]-3-(naphthalen-1-ylsulfonylamino)-3-phenylpropanamide
CID 68925782
(3R)-4-naphthalen-2-ylsulfonyl-3-phenyl-N-[(4R)-7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]butanamide
CID 11497939
3-(3-chloro-5-methyl-N-thiophen-2-ylsulfonylanilino)-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide
CID 90917984
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 60512921
3-(3-fluorophenyl)-3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 68927003

Frequently Asked Questions

What is the IUPAC name of N-[7-[[methyl(propan-2-yl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-(sulfonylamino)propanamide;naphthalene?
The IUPAC name of N-[7-[[methyl(propan-2-yl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-(sulfonylamino)propanamide;naphthalene (CID 87626987) is N-[7-[[methyl(propan-2-yl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-(sulfonylamino)propanamide;naphthalene.
What is the SMILES notation for N-[7-[[methyl(propan-2-yl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-(sulfonylamino)propanamide;naphthalene?
The canonical SMILES for N-[7-[[methyl(propan-2-yl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-(sulfonylamino)propanamide;naphthalene is CC(C)N(C)Cc1ccc2c(c1)OCCC2NC(=O)CC(N=S(=O)=O)c1ccccc1.c1ccc2ccccc2c1.
What is the InChIKey of N-[7-[[methyl(propan-2-yl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-(sulfonylamino)propanamide;naphthalene?
The InChIKey is GJJBNBFWPNZFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S.C10H8/c1-16(2)26(3)15-17-9-10-19-20(11-12-30-22(19)13-17)24-23(27)14-21(25-31(28)29)18-7-5-4-6-8-18;1-2-6-10-8-4-3-7-9(10)5-1/h4-10,13,16,20-21H,11-12,14-15H2,1-3H3,(H,24,27);1-8H.
What are the key properties of N-[7-[[methyl(propan-2-yl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-(sulfonylamino)propanamide;naphthalene?
N-[7-[[methyl(propan-2-yl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-(sulfonylamino)propanamide;naphthalene has a molecular weight of 571.74 g/mol, XLogP of 6.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[[methyl(propan-2-yl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-(sulfonylamino)propanamide;naphthalene is sourced from PubChem (CID 87626987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).