(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyanomethyl)-N-propan-2-ylpropanamide

C22H25ClN4O4S — CID 10174132

IUPAC(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyanomethyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CC#N)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C22H25ClN4O4S/c1-14(2)26(11-9-24)21(28)15(3)27-10-8-20(22(27)29)25-32(30,31)19-7-5-16-12-18(23)6-4-17(16)13-19/h4-7,12-15,20,25H,8,10-11H2,1-3H3/t15-,20-/m0/s1
InChIKeyZPZHPLVVYWTQQN-YWZLYKJASA-N
MW476.99 g/mol
LogP2.52
Rot. Bonds7

About (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyanomethyl)-N-propan-2-ylpropanamide

(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyanomethyl)-N-propan-2-ylpropanamide (PubChem CID 10174132) has the molecular formula C22H25ClN4O4S and a molecular weight of 476.99 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyanomethyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyanomethyl)-N-propan-2-ylpropanamide
PubChem CID10174132
Molecular FormulaC22H25ClN4O4S
Molecular Weight476.99 g/mol
Exact Mass476.13
IUPAC Name(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyanomethyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CC#N)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C22H25ClN4O4S/c1-14(2)26(11-9-24)21(28)15(3)27-10-8-20(22(27)29)25-32(30,31)19-7-5-16-12-18(23)6-4-17(16)13-19/h4-7,12-15,20,25H,8,10-11H2,1-3H3/t15-,20-/m0/s1
InChIKeyZPZHPLVVYWTQQN-YWZLYKJASA-N
XLogP2.52
TPSA110.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.99
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(3-aminopropyl)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpropanamide;hydrochloride
CID 69360574
(2R)-2-[(3R)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoic acid
CID 69058635
6-chloro-N-[1-[(2S)-1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 91002464
6-chloro-N-[(3S)-1-[(2S)-1-(2,5-dihydropyrrol-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 69329224
6-chloro-N-[1-[(2S)-1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 91066937
(2S)-N-(2-aminoethyl)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)propanamide
CID 23646118
6-chloro-N-[(3S)-1-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 69329929
6-chloro-N-[1-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 91252993
2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]butanoic acid
CID 22016962
tert-butyl 2-[3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]propanoate
CID 22017175
N-[1-[1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide
CID 22016904
6-chloro-N-[1-[1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 22017064

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyanomethyl)-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyanomethyl)-N-propan-2-ylpropanamide (CID 10174132) is (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyanomethyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyanomethyl)-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyanomethyl)-N-propan-2-ylpropanamide is CC(C)N(CC#N)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-(cyanomethyl)-N-propan-2-ylpropanamide?
The InChIKey is ZPZHPLVVYWTQQN-YWZLYKJASA-N. The full InChI is InChI=1S/C22H25ClN4O4S/c1-14(2)26(11-9-24)21(28)15(3)27-10-8-20(22(27)29)25-32(30,31)19-7-5-16-12-18(23)6-4-17(16)13-19/h4-7,12-15,20,25H,8,10-11H2,1-3H3/t15-,20-/m0/s1.
What are the key properties of (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyanomethyl)-N-propan-2-ylpropanamide?
(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyanomethyl)-N-propan-2-ylpropanamide has a molecular weight of 476.99 g/mol, XLogP of 2.52, 7 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-(cyanomethyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 10174132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).