N-(4-carbamothioylphenyl)-4-[cyclopropylmethyl(methyl)amino]butanamide

C16H23N3OS — CID 60984633

IUPACN-(4-carbamothioylphenyl)-4-[cyclopropylmethyl(methyl)amino]butanamide
SMILESCN(CCCC(=O)Nc1ccc(C(N)=S)cc1)CC1CC1
InChIInChI=1S/C16H23N3OS/c1-19(11-12-4-5-12)10-2-3-15(20)18-14-8-6-13(7-9-14)16(17)21/h6-9,12H,2-5,10-11H2,1H3,(H2,17,21)(H,18,20)
InChIKeyASXNWIQSVCQGQE-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.38
Rot. Bonds8

About N-(4-carbamothioylphenyl)-4-[cyclopropylmethyl(methyl)amino]butanamide

N-(4-carbamothioylphenyl)-4-[cyclopropylmethyl(methyl)amino]butanamide (PubChem CID 60984633) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-4-[cyclopropylmethyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-4-[cyclopropylmethyl(methyl)amino]butanamide
PubChem CID60984633
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-(4-carbamothioylphenyl)-4-[cyclopropylmethyl(methyl)amino]butanamide
SMILESCN(CCCC(=O)Nc1ccc(C(N)=S)cc1)CC1CC1
InChIInChI=1S/C16H23N3OS/c1-19(11-12-4-5-12)10-2-3-15(20)18-14-8-6-13(7-9-14)16(17)21/h6-9,12H,2-5,10-11H2,1H3,(H2,17,21)(H,18,20)
InChIKeyASXNWIQSVCQGQE-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884490
N-(4-carbamothioylphenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43569177
N-(4-carbamothioylphenyl)-3-[2-hydroxypropyl(methyl)amino]propanamide
CID 62335182
4-[[8-(4-carbamoylanilino)-8-oxooctyl]-methylamino]butanoic acid
CID 91585765
N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 29046567
N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862333
4-[[cyclopropylmethyl(methyl)amino]methyl]benzenecarbothioamide
CID 60984483
N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862492
N-(4-carbamothioylphenyl)-4-phenylbutanamide
CID 28939713
N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 60973340
N-(4-carbamothioylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81035802
N-(4-carbamothioylphenyl)-4-(2-oxopyrrolidin-1-yl)butanamide
CID 29268617

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-4-[cyclopropylmethyl(methyl)amino]butanamide?
The IUPAC name of N-(4-carbamothioylphenyl)-4-[cyclopropylmethyl(methyl)amino]butanamide (CID 60984633) is N-(4-carbamothioylphenyl)-4-[cyclopropylmethyl(methyl)amino]butanamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-4-[cyclopropylmethyl(methyl)amino]butanamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-4-[cyclopropylmethyl(methyl)amino]butanamide is CN(CCCC(=O)Nc1ccc(C(N)=S)cc1)CC1CC1.
What is the InChIKey of N-(4-carbamothioylphenyl)-4-[cyclopropylmethyl(methyl)amino]butanamide?
The InChIKey is ASXNWIQSVCQGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-19(11-12-4-5-12)10-2-3-15(20)18-14-8-6-13(7-9-14)16(17)21/h6-9,12H,2-5,10-11H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of N-(4-carbamothioylphenyl)-4-[cyclopropylmethyl(methyl)amino]butanamide?
N-(4-carbamothioylphenyl)-4-[cyclopropylmethyl(methyl)amino]butanamide has a molecular weight of 305.45 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-4-[cyclopropylmethyl(methyl)amino]butanamide is sourced from PubChem (CID 60984633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).