3-(carbamoylamino)-N-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropanamide

C16H19N3O2S — CID 134003536

IUPAC3-(carbamoylamino)-N-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropanamide
SMILESCc1cccc(CNC(=O)CC(NC(N)=O)c2cccs2)c1
InChIInChI=1S/C16H19N3O2S/c1-11-4-2-5-12(8-11)10-18-15(20)9-13(19-16(17)21)14-6-3-7-22-14/h2-8,13H,9-10H2,1H3,(H,18,20)(H3,17,19,21)
InChIKeyMMIZSCAAZWLRLX-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.47
Rot. Bonds6

About 3-(carbamoylamino)-N-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropanamide

3-(carbamoylamino)-N-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropanamide (PubChem CID 134003536) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropanamide
PubChem CID134003536
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name3-(carbamoylamino)-N-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropanamide
SMILESCc1cccc(CNC(=O)CC(NC(N)=O)c2cccs2)c1
InChIInChI=1S/C16H19N3O2S/c1-11-4-2-5-12(8-11)10-18-15(20)9-13(19-16(17)21)14-6-3-7-22-14/h2-8,13H,9-10H2,1H3,(H,18,20)(H3,17,19,21)
InChIKeyMMIZSCAAZWLRLX-UHFFFAOYSA-N
XLogP2.47
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methylphenyl)methylamino]-3-thiophen-2-ylpropanoic acid
CID 43727634
3-(carbamoylamino)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-thiophen-2-ylpropanamide
CID 46524392
(3S)-3-(carbamoylamino)-3-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 41217571
N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 55898896
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-methylphenyl)methylurea
CID 60776531
4-[[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]amino]-2,2-dimethylbutanoic acid
CID 122126169
N-[3-[[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903975
(3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 26081925
3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide
CID 134057478
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide;hydrochloride
CID 119526404

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-(carbamoylamino)-N-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropanamide (CID 134003536) is 3-(carbamoylamino)-N-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropanamide is Cc1cccc(CNC(=O)CC(NC(N)=O)c2cccs2)c1.
What is the InChIKey of 3-(carbamoylamino)-N-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is MMIZSCAAZWLRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-4-2-5-12(8-11)10-18-15(20)9-13(19-16(17)21)14-6-3-7-22-14/h2-8,13H,9-10H2,1H3,(H,18,20)(H3,17,19,21).
What are the key properties of 3-(carbamoylamino)-N-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropanamide?
3-(carbamoylamino)-N-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 317.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 134003536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).