(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-[2-(methanesulfonamido)ethyl]propanamide

C24H31ClN4O6S2 — CID 10129004

IUPAC(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-[2-(methanesulfonamido)ethyl]propanamide
SMILESC[C@@H](C(=O)N(CCNS(C)(=O)=O)CC1CC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C24H31ClN4O6S2/c1-16(23(30)28(15-17-3-4-17)12-10-26-36(2,32)33)29-11-9-22(24(29)31)27-37(34,35)21-8-6-18-13-20(25)7-5-19(18)14-21/h5-8,13-14,16-17,22,26-27H,3-4,9-12,15H2,1-2H3/t16-,22-/m0/s1
InChIKeyWKFVNJACXOSZIA-AOMKIAJQSA-N
MW571.12 g/mol
LogP1.55
Rot. Bonds11

About (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-[2-(methanesulfonamido)ethyl]propanamide

(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-[2-(methanesulfonamido)ethyl]propanamide (PubChem CID 10129004) has the molecular formula C24H31ClN4O6S2 and a molecular weight of 571.12 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-[2-(methanesulfonamido)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-[2-(methanesulfonamido)ethyl]propanamide
PubChem CID10129004
Molecular FormulaC24H31ClN4O6S2
Molecular Weight571.12 g/mol
Exact Mass570.14
IUPAC Name(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-[2-(methanesulfonamido)ethyl]propanamide
SMILESC[C@@H](C(=O)N(CCNS(C)(=O)=O)CC1CC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C24H31ClN4O6S2/c1-16(23(30)28(15-17-3-4-17)12-10-26-36(2,32)33)29-11-9-22(24(29)31)27-37(34,35)21-8-6-18-13-20(25)7-5-19(18)14-21/h5-8,13-14,16-17,22,26-27H,3-4,9-12,15H2,1-2H3/t16-,22-/m0/s1
InChIKeyWKFVNJACXOSZIA-AOMKIAJQSA-N
XLogP1.55
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.12
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-[2-(methanesulfonamido)ethyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-[2-(methanesulfonamido)ethyl]propanamide?
The IUPAC name of (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-[2-(methanesulfonamido)ethyl]propanamide (CID 10129004) is (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-[2-(methanesulfonamido)ethyl]propanamide.
What is the SMILES notation for (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-[2-(methanesulfonamido)ethyl]propanamide?
The canonical SMILES for (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-[2-(methanesulfonamido)ethyl]propanamide is C[C@@H](C(=O)N(CCNS(C)(=O)=O)CC1CC1)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-(cyclopropylmethyl)-N-[2-(methanesulfonamido)ethyl]propanamide?
The InChIKey is WKFVNJACXOSZIA-AOMKIAJQSA-N. The full InChI is InChI=1S/C24H31ClN4O6S2/c1-16(23(30)28(15-17-3-4-17)12-10-26-36(2,32)33)29-11-9-22(24(29)31)27-37(34,35)21-8-6-18-13-20(25)7-5-19(18)14-21/h5-8,13-14,16-17,22,26-27H,3-4,9-12,15H2,1-2H3/t16-,22-/m0/s1.
What are the key properties of (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-[2-(methanesulfonamido)ethyl]propanamide?
(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-[2-(methanesulfonamido)ethyl]propanamide has a molecular weight of 571.12 g/mol, XLogP of 1.55, 11 rotatable bonds, 2 hydrogen bond donors, and 6 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-(cyclopropylmethyl)-N-[2-(methanesulfonamido)ethyl]propanamide is sourced from PubChem (CID 10129004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).