N-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C18H22N2O2S2 — CID 39612740

IUPACN-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1cccs1)C(=O)N[C@H](c1cccs1)C1CCCC1
InChIInChI=1S/C18H22N2O2S2/c1-12(19-18(22)15-9-5-11-24-15)17(21)20-16(13-6-2-3-7-13)14-8-4-10-23-14/h4-5,8-13,16H,2-3,6-7H2,1H3,(H,19,22)(H,20,21)/t12-,16-/m0/s1
InChIKeyFNZMSJHZYWYSQV-LRDDRELGSA-N
MW362.52 g/mol
LogP3.98
Rot. Bonds6

About N-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 39612740) has the molecular formula C18H22N2O2S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID39612740
Molecular FormulaC18H22N2O2S2
Molecular Weight362.52 g/mol
Exact Mass362.11
IUPAC NameN-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1cccs1)C(=O)N[C@H](c1cccs1)C1CCCC1
InChIInChI=1S/C18H22N2O2S2/c1-12(19-18(22)15-9-5-11-24-15)17(21)20-16(13-6-2-3-7-13)14-8-4-10-23-14/h4-5,8-13,16H,2-3,6-7H2,1H3,(H,19,22)(H,20,21)/t12-,16-/m0/s1
InChIKeyFNZMSJHZYWYSQV-LRDDRELGSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
N-[1-[[(4-bromophenyl)-cyclobutylmethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55978681
N-[cyclopentyl(thiophen-2-yl)methyl]-2-methoxypropanamide
CID 47307968
N-[2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42960858
2-amino-N-[cyclopropyl(thiophen-2-yl)methyl]propanamide;hydrochloride
CID 119276253
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
N-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119474452
N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119385819
4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 80534165
(2S)-3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid
CID 61137613
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide
CID 63524576

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 39612740) is N-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is C[C@H](NC(=O)c1cccs1)C(=O)N[C@H](c1cccs1)C1CCCC1.
What is the InChIKey of N-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is FNZMSJHZYWYSQV-LRDDRELGSA-N. The full InChI is InChI=1S/C18H22N2O2S2/c1-12(19-18(22)15-9-5-11-24-15)17(21)20-16(13-6-2-3-7-13)14-8-4-10-23-14/h4-5,8-13,16H,2-3,6-7H2,1H3,(H,19,22)(H,20,21)/t12-,16-/m0/s1.
What are the key properties of N-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 39612740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).