N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide

C16H21N3O3S2 — CID 119525543

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide
SMILESCC(C)c1ccc(C(N)CNC(=O)c2csc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C16H21N3O3S2/c1-10(2)11-3-5-12(6-4-11)14(17)8-19-16(20)13-7-15(23-9-13)24(18,21)22/h3-7,9-10,14H,8,17H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyOGCBWDDJBSFWAD-UHFFFAOYSA-N
MW367.50 g/mol
LogP1.95
Rot. Bonds6

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide (PubChem CID 119525543) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide
PubChem CID119525543
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide
SMILESCC(C)c1ccc(C(N)CNC(=O)c2csc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C16H21N3O3S2/c1-10(2)11-3-5-12(6-4-11)14(17)8-19-16(20)13-7-15(23-9-13)24(18,21)22/h3-7,9-10,14H,8,17H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyOGCBWDDJBSFWAD-UHFFFAOYSA-N
XLogP1.95
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-sulfamoylthiophene-3-carboxamide
CID 94762614
N-[(2R)-2-(ethylamino)propyl]-5-sulfamoylthiophene-3-carboxamide;hydrochloride
CID 120651740
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide
CID 95044301
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride
CID 119526864
4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide
CID 119526547
N-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 36650596
(2S)-4-methyl-2-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid
CID 119361365
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride
CID 119526338
N-(2-phenylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 39191262
2-acetyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 119525343
N-(cyclopropylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 62223100

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide (CID 119525543) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide is CC(C)c1ccc(C(N)CNC(=O)c2csc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is OGCBWDDJBSFWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-10(2)11-3-5-12(6-4-11)14(17)8-19-16(20)13-7-15(23-9-13)24(18,21)22/h3-7,9-10,14H,8,17H2,1-2H3,(H,19,20)(H2,18,21,22).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 119525543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).