3-(carbamoylamino)-N-(4-cyclopentyloxyphenyl)-3-thiophen-2-ylpropanamide

C19H23N3O3S — CID 55577985

IUPAC3-(carbamoylamino)-N-(4-cyclopentyloxyphenyl)-3-thiophen-2-ylpropanamide
SMILESNC(=O)NC(CC(=O)Nc1ccc(OC2CCCC2)cc1)c1cccs1
InChIInChI=1S/C19H23N3O3S/c20-19(24)22-16(17-6-3-11-26-17)12-18(23)21-13-7-9-15(10-8-13)25-14-4-1-2-5-14/h3,6-11,14,16H,1-2,4-5,12H2,(H,21,23)(H3,20,22,24)
InChIKeyKHWWSGALPZSBKV-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.81
Rot. Bonds7

About 3-(carbamoylamino)-N-(4-cyclopentyloxyphenyl)-3-thiophen-2-ylpropanamide

3-(carbamoylamino)-N-(4-cyclopentyloxyphenyl)-3-thiophen-2-ylpropanamide (PubChem CID 55577985) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(4-cyclopentyloxyphenyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(4-cyclopentyloxyphenyl)-3-thiophen-2-ylpropanamide
PubChem CID55577985
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name3-(carbamoylamino)-N-(4-cyclopentyloxyphenyl)-3-thiophen-2-ylpropanamide
SMILESNC(=O)NC(CC(=O)Nc1ccc(OC2CCCC2)cc1)c1cccs1
InChIInChI=1S/C19H23N3O3S/c20-19(24)22-16(17-6-3-11-26-17)12-18(23)21-13-7-9-15(10-8-13)25-14-4-1-2-5-14/h3,6-11,14,16H,1-2,4-5,12H2,(H,21,23)(H3,20,22,24)
InChIKeyKHWWSGALPZSBKV-UHFFFAOYSA-N
XLogP3.81
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropanamide
CID 26027113
N-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 75866480
3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide
CID 51311861
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 60511072
(3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide
CID 26026931
3-(carbamoylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-3-thiophen-2-ylpropanamide
CID 56809727
N-[3-(4-bromoanilino)-3-oxopropyl]-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 55951845
2-chloro-N-(4-cyclopentyloxyphenyl)acetamide
CID 39356793
6-amino-N-(4-cyclopentyloxyphenyl)hexanamide
CID 43706244
3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide
CID 55573033
2-bromo-N-(4-cyclohexyloxyphenyl)acetamide
CID 23624715
3-(carbamoylamino)-N-(3-methylbutan-2-yl)-3-thiophen-2-ylpropanamide
CID 47137941

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(4-cyclopentyloxyphenyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-(carbamoylamino)-N-(4-cyclopentyloxyphenyl)-3-thiophen-2-ylpropanamide (CID 55577985) is 3-(carbamoylamino)-N-(4-cyclopentyloxyphenyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(4-cyclopentyloxyphenyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-(carbamoylamino)-N-(4-cyclopentyloxyphenyl)-3-thiophen-2-ylpropanamide is NC(=O)NC(CC(=O)Nc1ccc(OC2CCCC2)cc1)c1cccs1.
What is the InChIKey of 3-(carbamoylamino)-N-(4-cyclopentyloxyphenyl)-3-thiophen-2-ylpropanamide?
The InChIKey is KHWWSGALPZSBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c20-19(24)22-16(17-6-3-11-26-17)12-18(23)21-13-7-9-15(10-8-13)25-14-4-1-2-5-14/h3,6-11,14,16H,1-2,4-5,12H2,(H,21,23)(H3,20,22,24).
What are the key properties of 3-(carbamoylamino)-N-(4-cyclopentyloxyphenyl)-3-thiophen-2-ylpropanamide?
3-(carbamoylamino)-N-(4-cyclopentyloxyphenyl)-3-thiophen-2-ylpropanamide has a molecular weight of 373.48 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(4-cyclopentyloxyphenyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 55577985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).