N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide

C14H21N3O3S — CID 60718564

IUPACN-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C14H21N3O3S/c1-10(2)15-9-14(18)16-12-4-3-5-13(8-12)21(19,20)17-11-6-7-11/h3-5,8,10-11,15,17H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyMEUIBTAGRMRENB-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.06
Rot. Bonds7

About N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide

N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide (PubChem CID 60718564) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide
PubChem CID60718564
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C14H21N3O3S/c1-10(2)15-9-14(18)16-12-4-3-5-13(8-12)21(19,20)17-11-6-7-11/h3-5,8,10-11,15,17H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyMEUIBTAGRMRENB-UHFFFAOYSA-N
XLogP1.06
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79203861
(2R)-2-amino-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
CID 54995716
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037721
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(2-methylindol-1-yl)acetamide
CID 25441973
5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 107907884
5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 43347060
N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24655241
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 24646324
3-amino-N-[3-(cyclopropylsulfamoyl)phenyl]-2,2-dimethylpropanamide
CID 81486538
N-[3-(cyclopropylsulfamoyl)phenyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 55477994

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide (CID 60718564) is N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is MEUIBTAGRMRENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10(2)15-9-14(18)16-12-4-3-5-13(8-12)21(19,20)17-11-6-7-11/h3-5,8,10-11,15,17H,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide?
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 311.41 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 60718564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).