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

C23H30ClN5O5S — CID 10128598

IUPAC(2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)N(CCNC(N)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C23H30ClN5O5S/c1-14(2)28(11-9-26-23(25)32)21(30)15(3)29-10-8-20(22(29)31)27-35(33,34)19-7-5-16-12-18(24)6-4-17(16)13-19/h4-7,12-15,20,27H,8-11H2,1-3H3,(H3,25,26,32)/t15-,20-/m0/s1
InChIKeyFKIUZSOTEOEQSR-YWZLYKJASA-N
MW524.04 g/mol
LogP1.67
Rot. Bonds9

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

(2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 10128598) has the molecular formula C23H30ClN5O5S and a molecular weight of 524.04 g/mol. Its IUPAC name is (2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpropanamide
PubChem CID10128598
Molecular FormulaC23H30ClN5O5S
Molecular Weight524.04 g/mol
Exact Mass523.17
IUPAC Name(2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)N(CCNC(N)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
InChIInChI=1S/C23H30ClN5O5S/c1-14(2)28(11-9-26-23(25)32)21(30)15(3)29-10-8-20(22(29)31)27-35(33,34)19-7-5-16-12-18(24)6-4-17(16)13-19/h4-7,12-15,20,27H,8-11H2,1-3H3,(H3,25,26,32)/t15-,20-/m0/s1
InChIKeyFKIUZSOTEOEQSR-YWZLYKJASA-N
XLogP1.67
TPSA141.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.04
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpropanamide (CID 10128598) is (2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpropanamide is CC(C)N(CCNC(N)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O.
What is the InChIKey of (2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is FKIUZSOTEOEQSR-YWZLYKJASA-N. The full InChI is InChI=1S/C23H30ClN5O5S/c1-14(2)28(11-9-26-23(25)32)21(30)15(3)29-10-8-20(22(29)31)27-35(33,34)19-7-5-16-12-18(24)6-4-17(16)13-19/h4-7,12-15,20,27H,8-11H2,1-3H3,(H3,25,26,32)/t15-,20-/m0/s1.
What are the key properties of (2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpropanamide?
(2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 524.04 g/mol, XLogP of 1.67, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 10128598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).