(2R)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-(carbamoylamino)propanamide

C16H16BrClN4O4S — CID 41094177

IUPAC(2R)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-(carbamoylamino)propanamide
SMILESC[C@@H](NC(N)=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrClN4O4S/c1-9(20-16(19)24)15(23)21-12-6-7-13(18)14(8-12)27(25,26)22-11-4-2-10(17)3-5-11/h2-9,22H,1H3,(H,21,23)(H3,19,20,24)/t9-/m1/s1
InChIKeyRAKYULXOIJWUAI-SECBINFHSA-N
MW475.75 g/mol
LogP2.90
Rot. Bonds6

About (2R)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-(carbamoylamino)propanamide

(2R)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-(carbamoylamino)propanamide (PubChem CID 41094177) has the molecular formula C16H16BrClN4O4S and a molecular weight of 475.75 g/mol. Its IUPAC name is (2R)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-(carbamoylamino)propanamide.

Molecular Properties

Compound Name(2R)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-(carbamoylamino)propanamide
PubChem CID41094177
Molecular FormulaC16H16BrClN4O4S
Molecular Weight475.75 g/mol
Exact Mass473.98
IUPAC Name(2R)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-(carbamoylamino)propanamide
SMILESC[C@@H](NC(N)=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrClN4O4S/c1-9(20-16(19)24)15(23)21-12-6-7-13(18)14(8-12)27(25,26)22-11-4-2-10(17)3-5-11/h2-9,22H,1H3,(H,21,23)(H3,19,20,24)/t9-/m1/s1
InChIKeyRAKYULXOIJWUAI-SECBINFHSA-N
XLogP2.90
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.75
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 18208108
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide
CID 25342391
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-(carbamoylamino)-3-methylpentanamide
CID 24636258
(2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide
CID 25481714
2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]propanamide
CID 24634722
(2S)-2-acetamido-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide
CID 25479876
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 41168290
2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 24641052
(2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 32704805
2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 24643360
N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965668
2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 24635394

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-(carbamoylamino)propanamide?
The IUPAC name of (2R)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-(carbamoylamino)propanamide (CID 41094177) is (2R)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-(carbamoylamino)propanamide.
What is the SMILES notation for (2R)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-(carbamoylamino)propanamide?
The canonical SMILES for (2R)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-(carbamoylamino)propanamide is C[C@@H](NC(N)=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of (2R)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-(carbamoylamino)propanamide?
The InChIKey is RAKYULXOIJWUAI-SECBINFHSA-N. The full InChI is InChI=1S/C16H16BrClN4O4S/c1-9(20-16(19)24)15(23)21-12-6-7-13(18)14(8-12)27(25,26)22-11-4-2-10(17)3-5-11/h2-9,22H,1H3,(H,21,23)(H3,19,20,24)/t9-/m1/s1.
What are the key properties of (2R)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-(carbamoylamino)propanamide?
(2R)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-(carbamoylamino)propanamide has a molecular weight of 475.75 g/mol, XLogP of 2.90, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-(carbamoylamino)propanamide is sourced from PubChem (CID 41094177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).