3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide

C17H21N3O2S — CID 51311861

IUPAC3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide
SMILESCC(C)c1ccc(NC(=O)CC(NC(N)=O)c2cccs2)cc1
InChIInChI=1S/C17H21N3O2S/c1-11(2)12-5-7-13(8-6-12)19-16(21)10-14(20-17(18)22)15-4-3-9-23-15/h3-9,11,14H,10H2,1-2H3,(H,19,21)(H3,18,20,22)
InChIKeyWDHUIFOCMBXVDO-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.61
Rot. Bonds6

About 3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide

3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide (PubChem CID 51311861) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide
PubChem CID51311861
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide
SMILESCC(C)c1ccc(NC(=O)CC(NC(N)=O)c2cccs2)cc1
InChIInChI=1S/C17H21N3O2S/c1-11(2)12-5-7-13(8-6-12)19-16(21)10-14(20-17(18)22)15-4-3-9-23-15/h3-9,11,14H,10H2,1-2H3,(H,19,21)(H3,18,20,22)
InChIKeyWDHUIFOCMBXVDO-UHFFFAOYSA-N
XLogP3.61
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 75866480
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide;hydrochloride
CID 119526404
(3R)-3-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropanamide
CID 26027113
3-(carbamoylamino)-N-(3-methylbutan-2-yl)-3-thiophen-2-ylpropanamide
CID 47137941
(3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide
CID 94193166
3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 46697558
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 60511072
3-(carbamoylamino)-N-(4-cyclopentyloxyphenyl)-3-thiophen-2-ylpropanamide
CID 55577985
N-[3-(4-bromoanilino)-3-oxopropyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 55951845
3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide
CID 134024602
3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide
CID 55573033
N-(2-acetamido-4,5-difluorophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 60618030

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide (CID 51311861) is 3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide is CC(C)c1ccc(NC(=O)CC(NC(N)=O)c2cccs2)cc1.
What is the InChIKey of 3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide?
The InChIKey is WDHUIFOCMBXVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11(2)12-5-7-13(8-6-12)19-16(21)10-14(20-17(18)22)15-4-3-9-23-15/h3-9,11,14H,10H2,1-2H3,(H,19,21)(H3,18,20,22).
What are the key properties of 3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide?
3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide has a molecular weight of 331.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 51311861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).