4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide

C18H21N3O2S — CID 51943755

IUPAC4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide
SMILESNC(=O)Nc1ccc(C(=O)N[C@H](c2cccs2)C2CCCC2)cc1
InChIInChI=1S/C18H21N3O2S/c19-18(23)20-14-9-7-13(8-10-14)17(22)21-16(12-4-1-2-5-12)15-6-3-11-24-15/h3,6-12,16H,1-2,4-5H2,(H,21,22)(H3,19,20,23)/t16-/m0/s1
InChIKeyWATSFIXETDUOKJ-INIZCTEOSA-N
MW343.45 g/mol
LogP3.90
Rot. Bonds5

About 4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide

4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide (PubChem CID 51943755) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide
PubChem CID51943755
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide
SMILESNC(=O)Nc1ccc(C(=O)N[C@H](c2cccs2)C2CCCC2)cc1
InChIInChI=1S/C18H21N3O2S/c19-18(23)20-14-9-7-13(8-10-14)17(22)21-16(12-4-1-2-5-12)15-6-3-11-24-15/h3,6-12,16H,1-2,4-5H2,(H,21,22)(H3,19,20,23)/t16-/m0/s1
InChIKeyWATSFIXETDUOKJ-INIZCTEOSA-N
XLogP3.90
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 39029656
N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide
CID 63524576
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea
CID 94120635
N-[cyclopentyl(thiophen-2-yl)methyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 46457317
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 39612382
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 39613359
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 39032515
4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 80534165
1-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1,4-dicarboxamide
CID 94175624
1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea
CID 55697423

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide (CID 51943755) is 4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide is NC(=O)Nc1ccc(C(=O)N[C@H](c2cccs2)C2CCCC2)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide?
The InChIKey is WATSFIXETDUOKJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O2S/c19-18(23)20-14-9-7-13(8-10-14)17(22)21-16(12-4-1-2-5-12)15-6-3-11-24-15/h3,6-12,16H,1-2,4-5H2,(H,21,22)(H3,19,20,23)/t16-/m0/s1.
What are the key properties of 4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide?
4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide has a molecular weight of 343.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 51943755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).