2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide

C16H20N4OS — CID 119699001

IUPAC2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
SMILESCn1ccnc1Sc1ccc(NC(=O)CNCC2CC2)cc1
InChIInChI=1S/C16H20N4OS/c1-20-9-8-18-16(20)22-14-6-4-13(5-7-14)19-15(21)11-17-10-12-2-3-12/h4-9,12,17H,2-3,10-11H2,1H3,(H,19,21)
InChIKeyWCPCEFHIVUJHOV-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.51
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide

2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide (PubChem CID 119699001) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
PubChem CID119699001
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
SMILESCn1ccnc1Sc1ccc(NC(=O)CNCC2CC2)cc1
InChIInChI=1S/C16H20N4OS/c1-20-9-8-18-16(20)22-14-6-4-13(5-7-14)19-15(21)11-17-10-12-2-3-12/h4-9,12,17H,2-3,10-11H2,1H3,(H,19,21)
InChIKeyWCPCEFHIVUJHOV-UHFFFAOYSA-N
XLogP2.51
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide
CID 47138421
2-(cyclopropylmethylamino)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 119858982
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 55497406
2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119694268
4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride
CID 120587660
3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119698990
2-iodo-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide
CID 55519361
2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
CID 51297425
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide
CID 55498030
2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride
CID 119276286
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide (CID 119699001) is 2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide is Cn1ccnc1Sc1ccc(NC(=O)CNCC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide?
The InChIKey is WCPCEFHIVUJHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-20-9-8-18-16(20)22-14-6-4-13(5-7-14)19-15(21)11-17-10-12-2-3-12/h4-9,12,17H,2-3,10-11H2,1H3,(H,19,21).
What are the key properties of 2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide?
2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide has a molecular weight of 316.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide is sourced from PubChem (CID 119699001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).