(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)propanamide

C26H29ClN4O4S — CID 10218126

IUPAC(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C)N(Cc1ccncc1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C26H29ClN4O4S/c1-17(2)31(16-19-8-11-28-12-9-19)25(32)18(3)30-13-10-24(26(30)33)29-36(34,35)23-7-5-20-14-22(27)6-4-21(20)15-23/h4-9,11-12,14-15,17-18,24,29H,10,13,16H2,1-3H3/t18-,24-/m0/s1
InChIKeyWDWBAVTWZNDXDI-UUOWRZLLSA-N
MW529.06 g/mol
LogP3.59
Rot. Bonds8

About (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)propanamide

(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 10218126) has the molecular formula C26H29ClN4O4S and a molecular weight of 529.06 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID10218126
Molecular FormulaC26H29ClN4O4S
Molecular Weight529.06 g/mol
Exact Mass528.16
IUPAC Name(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C)N(Cc1ccncc1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C26H29ClN4O4S/c1-17(2)31(16-19-8-11-28-12-9-19)25(32)18(3)30-13-10-24(26(30)33)29-36(34,35)23-7-5-20-14-22(27)6-4-21(20)15-23/h4-9,11-12,14-15,17-18,24,29H,10,13,16H2,1-3H3/t18-,24-/m0/s1
InChIKeyWDWBAVTWZNDXDI-UUOWRZLLSA-N
XLogP3.59
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.06
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)propanamide with MolForge

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Related Compounds

(4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl)-(3,4,5,6-Tetrahydro-2h-(1,4')Bipyridinyl-4-Yl)-Methanone
CID 446399
P4 alanylamide pyrrolidin-2-one 26
CID 10152710
P4 alanylamide pyrrolidin-2-one 29
CID 10289601
P4 alanylamide pyrrolidin-2-one 27
CID 10311669
P4 alanylamide pyrrolidin-2-one 24
CID 23646115
6-chloro-N-(1-(4-(2-cyanopyridin-3-yl)-2-fluorophenyl)-2-oxopyrrolidin-3-yl)naphthalene-2-sulfonamide
CID 44446365
1-(naphthalen-2-ylsulfonyl)-N-pyridin-4-ylprolinamide
CID 6459108
6-chloro-N-((1-(1-(pyridin-4-yl)piperidine-4-carbonyl)pyrrolidin-3-yl)methyl)naphthalene-2-sulfonamide
CID 11375712
6-chloro-N-(1-(2-fluoro-4-(pyridin-4-yl)phenyl)-2-oxopyrrolidin-3-yl)naphthalene-2-sulfonamide
CID 44446366
6-chloro-N-(1-(2-fluoro-4-(pyridin-3-yl)phenyl)-2-oxopyrrolidin-3-yl)naphthalene-2-sulfonamide
CID 44446375
6-chloro-N-(2-oxo-1-(5-phenylpyridin-2-yl)pyrrolidin-3-yl)naphthalene-2-sulfonamide
CID 44446379
6-chloro-N-[1-(2-fluoro-4-pyridin-4-ylphenyl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
CID 44453582

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)propanamide (CID 10218126) is (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)propanamide is CC(C)N(Cc1ccncc1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O.
What is the InChIKey of (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is WDWBAVTWZNDXDI-UUOWRZLLSA-N. The full InChI is InChI=1S/C26H29ClN4O4S/c1-17(2)31(16-19-8-11-28-12-9-19)25(32)18(3)30-13-10-24(26(30)33)29-36(34,35)23-7-5-20-14-22(27)6-4-21(20)15-23/h4-9,11-12,14-15,17-18,24,29H,10,13,16H2,1-3H3/t18-,24-/m0/s1.
What are the key properties of (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)propanamide?
(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 529.06 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-yl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 10218126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).