2-[(4-chlorophenyl)carbamoylamino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-methylsulfonylpentanamide

C24H29ClN4O6S — CID 77168320

IUPAC2-[(4-chlorophenyl)carbamoylamino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-methylsulfonylpentanamide
SMILESCc1cc(NC(=O)C(CCCS(C)(=O)=O)NC(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1=O
InChIInChI=1S/C24H29ClN4O6S/c1-16-14-19(9-10-21(16)29-11-12-35-15-22(29)30)26-23(31)20(4-3-13-36(2,33)34)28-24(32)27-18-7-5-17(25)6-8-18/h5-10,14,20H,3-4,11-13,15H2,1-2H3,(H,26,31)(H2,27,28,32)
InChIKeyARTRSZPCBHRRMZ-UHFFFAOYSA-N
MW537.04 g/mol
LogP2.97
Rot. Bonds9

About 2-[(4-chlorophenyl)carbamoylamino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-methylsulfonylpentanamide

2-[(4-chlorophenyl)carbamoylamino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-methylsulfonylpentanamide (PubChem CID 77168320) has the molecular formula C24H29ClN4O6S and a molecular weight of 537.04 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoylamino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-methylsulfonylpentanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoylamino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-methylsulfonylpentanamide
PubChem CID77168320
Molecular FormulaC24H29ClN4O6S
Molecular Weight537.04 g/mol
Exact Mass536.15
IUPAC Name2-[(4-chlorophenyl)carbamoylamino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-methylsulfonylpentanamide
SMILESCc1cc(NC(=O)C(CCCS(C)(=O)=O)NC(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1=O
InChIInChI=1S/C24H29ClN4O6S/c1-16-14-19(9-10-21(16)29-11-12-35-15-22(29)30)26-23(31)20(4-3-13-36(2,33)34)28-24(32)27-18-7-5-17(25)6-8-18/h5-10,14,20H,3-4,11-13,15H2,1-2H3,(H,26,31)(H2,27,28,32)
InChIKeyARTRSZPCBHRRMZ-UHFFFAOYSA-N
XLogP2.97
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.04
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(4-chlorophenyl)carbamoylamino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-methylsulfonylpentanamide with MolForge

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Related Compounds

(2R)-2-[(4-ethynylphenyl)carbamoylamino]-3-methoxy-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 10253222
4-(amino-methyl-oxo-λ6-sulfanylidene)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]butanamide
CID 90846289
(3Z)-1-(4-chlorophenyl)-3-[1-hydroxy-3-[[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamoylamino]-4-pyridinylidene]urea
CID 11504438
tert-butyl N-[4-[(5-chlorothiophene-2-carbonyl)amino]-5-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-5-oxopentyl]carbamate
CID 68886814
tert-butyl N-[(3R)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-4-oxobutyl]carbamate
CID 68883502
3-N-(4-chlorophenyl)-4-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide
CID 66593247
2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-4-(2H-tetrazol-5-yl)butanamide
CID 69353849
tert-butyl N-[2-[(5-chlorothiophene-2-carbonyl)amino]-3-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]carbamate
CID 68884023
(5-ethynylthiophen-2-yl) N-[3-methoxy-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]carbamate
CID 91484760
(5-chlorothiophen-2-yl) N-[2-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-2-oxo-1-phenylethyl]carbamate
CID 91492676
N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide
CID 87236086
(2S)-3-amino-2-(2,2-difluoroethylcarbamoylamino)-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 87868308

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-methylsulfonylpentanamide?
The IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-methylsulfonylpentanamide (CID 77168320) is 2-[(4-chlorophenyl)carbamoylamino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-methylsulfonylpentanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoylamino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-methylsulfonylpentanamide?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoylamino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-methylsulfonylpentanamide is Cc1cc(NC(=O)C(CCCS(C)(=O)=O)NC(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1=O.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoylamino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-methylsulfonylpentanamide?
The InChIKey is ARTRSZPCBHRRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O6S/c1-16-14-19(9-10-21(16)29-11-12-35-15-22(29)30)26-23(31)20(4-3-13-36(2,33)34)28-24(32)27-18-7-5-17(25)6-8-18/h5-10,14,20H,3-4,11-13,15H2,1-2H3,(H,26,31)(H2,27,28,32).
What are the key properties of 2-[(4-chlorophenyl)carbamoylamino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-methylsulfonylpentanamide?
2-[(4-chlorophenyl)carbamoylamino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-methylsulfonylpentanamide has a molecular weight of 537.04 g/mol, XLogP of 2.97, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoylamino]-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-5-methylsulfonylpentanamide is sourced from PubChem (CID 77168320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).