N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(benzenesulfonamido)-2-methylpropanamide

C26H32N4O5S — CID 22219222

IUPACN-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(benzenesulfonamido)-2-methylpropanamide
SMILESCC(C)(NS(=O)(=O)c1ccccc1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCC(O)CN
InChIInChI=1S/C26H32N4O5S/c1-26(2,30-36(34,35)22-10-4-3-5-11-22)25(33)29-23(24(32)28-17-21(31)16-27)15-18-12-13-19-8-6-7-9-20(19)14-18/h3-14,21,23,30-31H,15-17,27H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyCPRZGGOTNXGGEU-UHFFFAOYSA-N
MW512.63 g/mol
LogP1.06
Rot. Bonds11

About N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(benzenesulfonamido)-2-methylpropanamide

N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(benzenesulfonamido)-2-methylpropanamide (PubChem CID 22219222) has the molecular formula C26H32N4O5S and a molecular weight of 512.63 g/mol. Its IUPAC name is N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(benzenesulfonamido)-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(benzenesulfonamido)-2-methylpropanamide
PubChem CID22219222
Molecular FormulaC26H32N4O5S
Molecular Weight512.63 g/mol
Exact Mass512.21
IUPAC NameN-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(benzenesulfonamido)-2-methylpropanamide
SMILESCC(C)(NS(=O)(=O)c1ccccc1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCC(O)CN
InChIInChI=1S/C26H32N4O5S/c1-26(2,30-36(34,35)22-10-4-3-5-11-22)25(33)29-23(24(32)28-17-21(31)16-27)15-18-12-13-19-8-6-7-9-20(19)14-18/h3-14,21,23,30-31H,15-17,27H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyCPRZGGOTNXGGEU-UHFFFAOYSA-N
XLogP1.06
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.63
LogP ≤ 51.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-2-propylpentanamide
CID 58590593
2-[3-[acetyl(benzyl)amino]propanoylamino]-N-(3-amino-2-hydroxypropyl)-3-naphthalen-2-ylpropanamide
CID 21021340
N-[(2R)-3-amino-2-hydroxypropyl]-4-methyl-2-(naphthalen-2-ylmethyl)-3-oxo-4-[(2-phenylacetyl)amino]pentanamide
CID 54399309
N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-4-[cycloheptyl(methylsulfonyl)amino]butanamide;hydrochloride
CID 21021211
(2S)-N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 11627313
N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-propylpentanoyl)pyrrolidine-2-carboxamide
CID 21021420
N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-[4-methyl-2-(2-methylpropyl)pentanoyl]pyrrolidine-2-carboxamide
CID 58590677
(2S)-N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-[4-methyl-2-(2-methylpropyl)pentanoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 21021179
N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide;hydrochloride
CID 69182090
2-[[2-[[2-[[2-[2-[[2-[[2-[(2-amino-2-methylpropanoyl)amino]-3-naphthalen-2-ylpropanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]-3-[4-[(R)-hydroxy(phenyl)methyl]phenyl]propanoyl]amino]-2-methylpropanoyl]amino]propanoic acid
CID 90273826
N-[(2R)-3-amino-2-hydroxypropyl]-3-naphthalen-2-yl-2-[3-(6-oxo-11,12-dihydrobenzo[c][1]benzazocin-5-yl)propanoylamino]propanamide
CID 69317230
(2R)-N-(3-amino-2-hydroxypropyl)-2-[3-(9-fluoro-2-oxo-3,4,5,6-tetrahydro-1-benzazocin-1-yl)propanoylamino]-3-naphthalen-2-ylpropanamide
CID 20763114

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(benzenesulfonamido)-2-methylpropanamide?
The IUPAC name of N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(benzenesulfonamido)-2-methylpropanamide (CID 22219222) is N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(benzenesulfonamido)-2-methylpropanamide.
What is the SMILES notation for N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(benzenesulfonamido)-2-methylpropanamide?
The canonical SMILES for N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(benzenesulfonamido)-2-methylpropanamide is CC(C)(NS(=O)(=O)c1ccccc1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCC(O)CN.
What is the InChIKey of N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(benzenesulfonamido)-2-methylpropanamide?
The InChIKey is CPRZGGOTNXGGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5S/c1-26(2,30-36(34,35)22-10-4-3-5-11-22)25(33)29-23(24(32)28-17-21(31)16-27)15-18-12-13-19-8-6-7-9-20(19)14-18/h3-14,21,23,30-31H,15-17,27H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(benzenesulfonamido)-2-methylpropanamide?
N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(benzenesulfonamido)-2-methylpropanamide has a molecular weight of 512.63 g/mol, XLogP of 1.06, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(benzenesulfonamido)-2-methylpropanamide is sourced from PubChem (CID 22219222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).