naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide;hydrochloride

C34H38ClN3O4S — CID 87625732

IUPACnaphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide;hydrochloride
SMILESCl.O=C(CC(N=S(=O)=O)c1ccccc1)NC1CCOc2c(CN3CCCCC3)cccc21.c1ccc2ccccc2c1
InChIInChI=1S/C24H29N3O4S.C10H8.ClH/c28-23(16-22(26-32(29)30)18-8-3-1-4-9-18)25-21-12-15-31-24-19(10-7-11-20(21)24)17-27-13-5-2-6-14-27;1-2-6-10-8-4-3-7-9(10)5-1;/h1,3-4,7-11,21-22H,2,5-6,12-17H2,(H,25,28);1-8H;1H
InChIKeyUKGJNAPBTLVJSR-UHFFFAOYSA-N
MW620.22 g/mol
LogP7.07
Rot. Bonds7

About naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide;hydrochloride

naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide;hydrochloride (PubChem CID 87625732) has the molecular formula C34H38ClN3O4S and a molecular weight of 620.22 g/mol. Its IUPAC name is naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide;hydrochloride.

Molecular Properties

Compound Namenaphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide;hydrochloride
PubChem CID87625732
Molecular FormulaC34H38ClN3O4S
Molecular Weight620.22 g/mol
Exact Mass619.23
IUPAC Namenaphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide;hydrochloride
SMILESCl.O=C(CC(N=S(=O)=O)c1ccccc1)NC1CCOc2c(CN3CCCCC3)cccc21.c1ccc2ccccc2c1
InChIInChI=1S/C24H29N3O4S.C10H8.ClH/c28-23(16-22(26-32(29)30)18-8-3-1-4-9-18)25-21-12-15-31-24-19(10-7-11-20(21)24)17-27-13-5-2-6-14-27;1-2-6-10-8-4-3-7-9(10)5-1;/h1,3-4,7-11,21-22H,2,5-6,12-17H2,(H,25,28);1-8H;1H
InChIKeyUKGJNAPBTLVJSR-UHFFFAOYSA-N
XLogP7.07
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.22
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide
CID 87627362
N-[7-[[methyl(propan-2-yl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-(sulfonylamino)propanamide;naphthalene
CID 87626987
3-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropanamide;hydrochloride
CID 119950489
(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-fluorophenyl)-3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 68927003
1-benzyl-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]piperidine-4-carboxamide
CID 95279883
3-(naphthalen-2-ylsulfonylamino)-3-(3-phenoxyphenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 68928838
3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-pyridin-3-ylpropanamide
CID 68932666
4-naphthalen-2-ylsulfonyl-3-phenyl-N-[5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]butanamide
CID 73032171
N-(3,4-dihydro-2H-chromen-4-yl)-2-naphthalen-1-ylacetamide
CID 18115215
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-naphthalen-2-ylsulfanylacetamide
CID 30803635
2-[2-[(9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]-2-oxoethyl]benzoic acid
CID 120552754

Frequently Asked Questions

What is the IUPAC name of naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide;hydrochloride?
The IUPAC name of naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide;hydrochloride (CID 87625732) is naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide;hydrochloride.
What is the SMILES notation for naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide;hydrochloride?
The canonical SMILES for naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide;hydrochloride is Cl.O=C(CC(N=S(=O)=O)c1ccccc1)NC1CCOc2c(CN3CCCCC3)cccc21.c1ccc2ccccc2c1.
What is the InChIKey of naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide;hydrochloride?
The InChIKey is UKGJNAPBTLVJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S.C10H8.ClH/c28-23(16-22(26-32(29)30)18-8-3-1-4-9-18)25-21-12-15-31-24-19(10-7-11-20(21)24)17-27-13-5-2-6-14-27;1-2-6-10-8-4-3-7-9(10)5-1;/h1,3-4,7-11,21-22H,2,5-6,12-17H2,(H,25,28);1-8H;1H.
What are the key properties of naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide;hydrochloride?
naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide;hydrochloride has a molecular weight of 620.22 g/mol, XLogP of 7.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene;3-phenyl-N-[8-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(sulfonylamino)propanamide;hydrochloride is sourced from PubChem (CID 87625732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).