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

C23H29ClN4O4S — CID 23646118

IUPAC(2S)-N-(2-aminoethyl)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)propanamide
SMILESC[C@@H](C(=O)N(CCN)CC1CC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C23H29ClN4O4S/c1-15(22(29)27(11-9-25)14-16-2-3-16)28-10-8-21(23(28)30)26-33(31,32)20-7-5-17-12-19(24)6-4-18(17)13-20/h4-7,12-13,15-16,21,26H,2-3,8-11,14,25H2,1H3/t15-,21-/m0/s1
InChIKeyCJKICYYTZSOGRG-BTYIYWSLSA-N
MW493.03 g/mol
LogP1.96
Rot. Bonds9

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

(2S)-N-(2-aminoethyl)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)propanamide (PubChem CID 23646118) has the molecular formula C23H29ClN4O4S and a molecular weight of 493.03 g/mol. Its IUPAC name is (2S)-N-(2-aminoethyl)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-aminoethyl)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)propanamide
PubChem CID23646118
Molecular FormulaC23H29ClN4O4S
Molecular Weight493.03 g/mol
Exact Mass492.16
IUPAC Name(2S)-N-(2-aminoethyl)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)propanamide
SMILESC[C@@H](C(=O)N(CCN)CC1CC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C23H29ClN4O4S/c1-15(22(29)27(11-9-25)14-16-2-3-16)28-10-8-21(23(28)30)26-33(31,32)20-7-5-17-12-19(24)6-4-18(17)13-20/h4-7,12-13,15-16,21,26H,2-3,8-11,14,25H2,1H3/t15-,21-/m0/s1
InChIKeyCJKICYYTZSOGRG-BTYIYWSLSA-N
XLogP1.96
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.03
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-aminoethyl)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)propanamide?
The IUPAC name of (2S)-N-(2-aminoethyl)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)propanamide (CID 23646118) is (2S)-N-(2-aminoethyl)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)propanamide.
What is the SMILES notation for (2S)-N-(2-aminoethyl)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)propanamide?
The canonical SMILES for (2S)-N-(2-aminoethyl)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)propanamide is C[C@@H](C(=O)N(CCN)CC1CC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O.
What is the InChIKey of (2S)-N-(2-aminoethyl)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)propanamide?
The InChIKey is CJKICYYTZSOGRG-BTYIYWSLSA-N. The full InChI is InChI=1S/C23H29ClN4O4S/c1-15(22(29)27(11-9-25)14-16-2-3-16)28-10-8-21(23(28)30)26-33(31,32)20-7-5-17-12-19(24)6-4-18(17)13-20/h4-7,12-13,15-16,21,26H,2-3,8-11,14,25H2,1H3/t15-,21-/m0/s1.
What are the key properties of (2S)-N-(2-aminoethyl)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)propanamide?
(2S)-N-(2-aminoethyl)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)propanamide has a molecular weight of 493.03 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-aminoethyl)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(cyclopropylmethyl)propanamide is sourced from PubChem (CID 23646118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).