1-[(2R)-1-phenylbutan-2-yl]-3-(3-sulfamoylphenyl)urea

C17H21N3O3S — CID 129396881

IUPAC1-[(2R)-1-phenylbutan-2-yl]-3-(3-sulfamoylphenyl)urea
SMILESCC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H21N3O3S/c1-2-14(11-13-7-4-3-5-8-13)19-17(21)20-15-9-6-10-16(12-15)24(18,22)23/h3-10,12,14H,2,11H2,1H3,(H2,18,22,23)(H2,19,20,21)/t14-/m1/s1
InChIKeyOSRNABARHUWVDL-CQSZACIVSA-N
MW347.44 g/mol
LogP2.48
Rot. Bonds6

About 1-[(2R)-1-phenylbutan-2-yl]-3-(3-sulfamoylphenyl)urea

1-[(2R)-1-phenylbutan-2-yl]-3-(3-sulfamoylphenyl)urea (PubChem CID 129396881) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[(2R)-1-phenylbutan-2-yl]-3-(3-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[(2R)-1-phenylbutan-2-yl]-3-(3-sulfamoylphenyl)urea
PubChem CID129396881
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-[(2R)-1-phenylbutan-2-yl]-3-(3-sulfamoylphenyl)urea
SMILESCC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H21N3O3S/c1-2-14(11-13-7-4-3-5-8-13)19-17(21)20-15-9-6-10-16(12-15)24(18,22)23/h3-10,12,14H,2,11H2,1H3,(H2,18,22,23)(H2,19,20,21)/t14-/m1/s1
InChIKeyOSRNABARHUWVDL-CQSZACIVSA-N
XLogP2.48
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 129366210
(3R)-3-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 129366211
(2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid
CID 107565988
(2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid
CID 80750323
(2S)-4-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 107825750
1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea
CID 51970987
dimethyl 2-[(3-sulfamoylphenyl)carbamoylamino]butanedioate
CID 166627768
2-cyclopropyl-2-[(3-sulfamoylphenyl)carbamoylamino]acetic acid
CID 62711551
2-[ethyl-[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 95786408
[(2S)-1-phenylbutan-2-yl]urea
CID 7452634
benzyl N-[(2S)-3-methyl-1-oxo-1-(3-sulfamoylanilino)butan-2-yl]carbamate
CID 9068605
[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 8970855

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-phenylbutan-2-yl]-3-(3-sulfamoylphenyl)urea?
The IUPAC name of 1-[(2R)-1-phenylbutan-2-yl]-3-(3-sulfamoylphenyl)urea (CID 129396881) is 1-[(2R)-1-phenylbutan-2-yl]-3-(3-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[(2R)-1-phenylbutan-2-yl]-3-(3-sulfamoylphenyl)urea?
The canonical SMILES for 1-[(2R)-1-phenylbutan-2-yl]-3-(3-sulfamoylphenyl)urea is CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 1-[(2R)-1-phenylbutan-2-yl]-3-(3-sulfamoylphenyl)urea?
The InChIKey is OSRNABARHUWVDL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-14(11-13-7-4-3-5-8-13)19-17(21)20-15-9-6-10-16(12-15)24(18,22)23/h3-10,12,14H,2,11H2,1H3,(H2,18,22,23)(H2,19,20,21)/t14-/m1/s1.
What are the key properties of 1-[(2R)-1-phenylbutan-2-yl]-3-(3-sulfamoylphenyl)urea?
1-[(2R)-1-phenylbutan-2-yl]-3-(3-sulfamoylphenyl)urea has a molecular weight of 347.44 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-phenylbutan-2-yl]-3-(3-sulfamoylphenyl)urea is sourced from PubChem (CID 129396881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).